SCHEMBL1493435

SCHEMBL1493435

O=C(O)CSc1nnnn1-c1ccccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.79
POLB P06746 3/20 0.68
MAPK1 P28482 1/20 0.65
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ABCB1 P08183 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1493416 0.84 POLB (0.58) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL1493487 0.84 ALDH1A1 (0.79) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL1493472 0.84 POLB (0.68) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL859415 0.82 ALDH1A1 (0.74) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL1610031 0.81 POLB (1.00) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL1493362 0.81 MAPK1 (0.78) ALDH1A1POLBMAPK1MAPTMEN1
SCHEMBL7992707 0.80 POLB (0.97) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL9610068 0.79 POLB (0.52) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL6276767 0.79 ALDH1A1 (0.69) ALDH1A1POLBMAPK1MAPTLMNA
SCHEMBL1493401 0.79 ALDH1A1 (0.64) ALDH1A1POLBMAPK1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 3233/4885POLB 4782/4885MAPK1 3086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.